- InChI
- InChI=1S/C8H16O3/c1-5-10-8(9)11-7(4)6(2)3/h6-7H,5H2,1-4H3
- InChI Key
- XXFPNRVPXCFNCD-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCOC(=O)OC(C)C(C)C
- Molecular Weight1
- 160.21
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4999 | Relay (1.0) Calculated Property | |
| ΔfG° | -403.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.204 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [990.00; 990.00] |
|
|
| Inp | 990.00 | NIST | |
| Inp | 990.00 | NIST | |
| Tboil | 430.94 | K | Relay (1.0) Calculated Property |
| Tc | 586.41 | K | Relay (1.0) Calculated Property |
| Tfus | 207.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.30; 459.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.31610e+01 | |||
| Coefficient B | 6.57680e-01 | |||
| Coefficient C | -2.12200e-04 | |||
| Coefficient D | -2.89000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 206.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 407.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 428.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0113332; 0.0002034] | Pa×s | [214.48; 448.92] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21785e+01 | |||
| Coefficient B | 1.65117e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 214.48 | |||
| Temperature range, max. | 448.92 | |||
| η | 0.0113332 | Pa×s | 214.48 | Calculated Property |
| η | 0.0049234 | Pa×s | 240.53 | Calculated Property |
| η | 0.0025173 | Pa×s | 266.58 | Calculated Property |
| η | 0.0014504 | Pa×s | 292.63 | Calculated Property |
| η | 0.0009145 | Pa×s | 318.68 | Calculated Property |
| η | 0.0006182 | Pa×s | 344.73 | Calculated Property |
| η | 0.0004416 | Pa×s | 370.77 | Calculated Property |
| η | 0.0003296 | Pa×s | 396.82 | Calculated Property |
| η | 0.0002551 | Pa×s | 422.87 | Calculated Property |
| η | 0.0002034 | Pa×s | 448.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-methylbutan-2-yl carbonate.
Sources
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